General Information of the Compound
| Compound ID |
CP0169981
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| Compound Name |
13-(3-methoxyphenyl)-2-oxa-5,22-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,7,10,14,16(21)-octaen-15-amine
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| Structure |
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| Formula |
C26H23N3O2
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| Molecular Weight |
409.489
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| Canonical SMILES |
COc1cccc(c1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12
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| InChI |
InChI=1S/C26H23N3O2/c1-30-17-8-4-6-16(14-17)21-19-12-11-15-7-5-13-28-24(15)25(19)31-26-22(21)23(27)18-9-2-3-10-20(18)29-26/h4-8,11-14,21H,2-3,9-10H2,1H3,(H2,27,29)
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| InChIKey |
VQICOKOVXNVBBA-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound